Magnetizability and rotational g tensors for density fitted local second-order Møller-Plesset perturbation theory using gauge-including atomic orbitals
Loibl, Stefan and Schütz, Martin (2014) Magnetizability and rotational g tensors for density fitted local second-order Møller-Plesset perturbation theory using gauge-including atomic orbitals. The Journal of Chemical Physics 141 (2).Date of publication of this fulltext: 19 Dec 2024 08:09
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| Item type | Article | ||||
| Journal or Publication Title | The Journal of Chemical Physics | ||||
| Publisher: | AMER INST PHYSICS | ||||
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| Place of Publication: | MELVILLE | ||||
| Volume: | 141 | ||||
| Number of Issue or Book Chapter: | 2 | ||||
| Date | 2014 | ||||
| Institutions | Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie | ||||
| Identification Number |
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| Keywords | MAGNETIC SHIELDING CONSTANTS; NMR CHEMICAL-SHIFTS; CORRELATED MOLECULAR CALCULATIONS; ELECTRON CORRELATION METHODS; GAUSSIAN-BASIS SETS; ANALYTIC 2ND DERIVATIVES; COUPLED-CLUSTER SINGLES; AB-INITIO METHODS; CONTINUOUS TRANSFORMATION; FITTING APPROXIMATIONS; | ||||
| Dewey Decimal Classification | 500 Science > 540 Chemistry & allied sciences | ||||
| Status | Published | ||||
| Refereed | Yes, this version has been refereed | ||||
| Created at the University of Regensburg | Yes | ||||
| Item ID | 61346 |
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